N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine

• ChemBase ID: 565617
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cnc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cn1)CN1CC(C1)N1CCOCC1)C
• InChI: InChI=1S/C15H24N4O/c1-17(2)15-4-3-13(9-16-15)10-18-11-14(12-18)19-5-7-20-8-6-19/h3-4,9,14H,5-8,10-12H2,1-2H3
• InChIKey: PPHFLNBSJBNSFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine
• Synonyms: N,N-dimethyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5946215
• LogD (pH = 7.4): 0.9011141
• Log P: 1.0878577
• Molar Refractivity: 81.9807 cm^3
• Polarizability: 31.267933 Å^3
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.61
• LOG S: 0.31
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 4